1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine

C21H31FN6 — CID 1443305

IUPAC1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H31FN6/c1-16(2)15-20(21-23-24-25-28(21)17-7-3-4-8-17)27-13-11-26(12-14-27)19-10-6-5-9-18(19)22/h5-6,9-10,16-17,20H,3-4,7-8,11-15H2,1-2H3/t20-/m0/s1
InChIKeyIJJTXVLTYBRQSS-FQEVSTJZSA-N
MW386.52 g/mol
LogP3.84
Rot. Bonds6

About 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine (PubChem CID 1443305) has the molecular formula C21H31FN6 and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
PubChem CID1443305
Molecular FormulaC21H31FN6
Molecular Weight386.52 g/mol
Exact Mass386.26
IUPAC Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H31FN6/c1-16(2)15-20(21-23-24-25-28(21)17-7-3-4-8-17)27-13-11-26(12-14-27)19-10-6-5-9-18(19)22/h5-6,9-10,16-17,20H,3-4,7-8,11-15H2,1-2H3/t20-/m0/s1
InChIKeyIJJTXVLTYBRQSS-FQEVSTJZSA-N
XLogP3.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
CID 53313628
1-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1446104
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
1-(2-fluorophenyl)-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210063
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 3175201

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine (CID 1443305) is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine is CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is IJJTXVLTYBRQSS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H31FN6/c1-16(2)15-20(21-23-24-25-28(21)17-7-3-4-8-17)27-13-11-26(12-14-27)19-10-6-5-9-18(19)22/h5-6,9-10,16-17,20H,3-4,7-8,11-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine?
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 386.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 1443305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).